Geometry & MOs

Info

ID:

328350

PubChem CID:

126700775

Reduced:

O7C53H74 (1)

Stoich.:

A7B53C74 (1)

Weight, g/mol:

364.164774

ΔHf, kcal/mol:

-327.45

Dipole, Da:

4.85

IP(EA), eV:

 -8.78(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-cyclopropyl-2-[(2-pyridazin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl)amino]acetamide

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C=C3)C4=CC(=C(C(=C4)CCCOC(=O)C(=C)C)OCCC(CCC)(CO)CO)CCCOC(=O)C(=C)C)CC

DOS

IR

Vibrations